COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL026549
Chemical Name: 5,5-dimethyl-2-[(4-nitrophenyl)carbonyl]cyclohexane-1,3-dione
Smiles: O=C(C1C(=O)CC(CC1=O)(C)C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 289.29
Empirical Formula: C15H15NO5

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 1.473
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 97
Number of rings: 2

     

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